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	hartrees
Energy at 0K	-204.808842
Energy at 298.15K
HF Energy	-204.808842
Nuclear repulsion energy	49.232330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2335	2335	58.48	172.56	0.11	0.19
2	A₁	964	964	131.63	24.04	0.69	0.82
3	A₁	767	767	56.27	6.97	0.15	0.26
4	A₁	276	276	26.59	2.13	0.74	0.85
5	A₂	705	705	0.00	23.41	0.75	0.86
6	B₁	2359	2359	118.32	47.38	0.75	0.86
7	B₁	680	680	131.02	8.48	0.75	0.86
8	B₂	938	938	258.23	8.23	0.75	0.86
9	B₂	824	824	31.24	8.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.482
F2	0.000	1.345	-0.515
F3	0.000	-1.345	-0.515
H4	1.250	0.000	1.263
H5	-1.250	0.000	1.263

	Si1	F2	F3	H4	H5
Si1		1.6745	1.6745	1.4731	1.4731
F2	1.6745		2.6893	2.5555	2.5555
F3	1.6745	2.6893		2.5555	2.5555
H4	1.4731	2.5555	2.5555		2.4990
H5	1.4731	2.5555	2.5555	2.4990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	106.842	F2	Si1	H4	108.398
F2	Si1	H5	108.398	F3	Si1	H4	108.398
F3	Si1	H5	108.398	H4	Si1	H5	116.041

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: wB97X-D/LANL2DZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Si	1.243
2	F	-0.524
3	F	-0.524
4	H	-0.097
5	H	-0.097

	x	y	z	Total
	0.000	0.000	3.038	3.038
CHELPG
AIM
ESP

<r²>	59.540
(<r²>)^1/2	7.716

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: wB97X-D/LANL2DZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)